N-ethyl-3,4-dimethoxyaniline

C10H15NO2 — CID 12686507

IUPACN-ethyl-3,4-dimethoxyaniline
SMILESCCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15NO2/c1-4-11-8-5-6-9(12-2)10(7-8)13-3/h5-7,11H,4H2,1-3H3
InChIKeyPEQJBOMPGWYIRO-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.14
Rot. Bonds4

About N-ethyl-3,4-dimethoxyaniline

N-ethyl-3,4-dimethoxyaniline (PubChem CID 12686507) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxyaniline
PubChem CID12686507
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-ethyl-3,4-dimethoxyaniline
SMILESCCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15NO2/c1-4-11-8-5-6-9(12-2)10(7-8)13-3/h5-7,11H,4H2,1-3H3
InChIKeyPEQJBOMPGWYIRO-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethoxyaniline?
The IUPAC name of N-ethyl-3,4-dimethoxyaniline (CID 12686507) is N-ethyl-3,4-dimethoxyaniline.
What is the SMILES notation for N-ethyl-3,4-dimethoxyaniline?
The canonical SMILES for N-ethyl-3,4-dimethoxyaniline is CCNc1ccc(OC)c(OC)c1.
What is the InChIKey of N-ethyl-3,4-dimethoxyaniline?
The InChIKey is PEQJBOMPGWYIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-11-8-5-6-9(12-2)10(7-8)13-3/h5-7,11H,4H2,1-3H3.
What are the key properties of N-ethyl-3,4-dimethoxyaniline?
N-ethyl-3,4-dimethoxyaniline has a molecular weight of 181.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxyaniline is sourced from PubChem (CID 12686507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).